1-(4-cyclohexylphenyl)sulfonyl-4-ethylsulfonylpiperazine

C18H28N2O4S2 — CID 60568104

IUPAC1-(4-cyclohexylphenyl)sulfonyl-4-ethylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C18H28N2O4S2/c1-2-25(21,22)19-12-14-20(15-13-19)26(23,24)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h8-11,16H,2-7,12-15H2,1H3
InChIKeyAZZAZAFNOABEDW-UHFFFAOYSA-N
MW400.57 g/mol
LogP2.39
Rot. Bonds5

About 1-(4-cyclohexylphenyl)sulfonyl-4-ethylsulfonylpiperazine

1-(4-cyclohexylphenyl)sulfonyl-4-ethylsulfonylpiperazine (PubChem CID 60568104) has the molecular formula C18H28N2O4S2 and a molecular weight of 400.57 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)sulfonyl-4-ethylsulfonylpiperazine.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)sulfonyl-4-ethylsulfonylpiperazine
PubChem CID60568104
Molecular FormulaC18H28N2O4S2
Molecular Weight400.57 g/mol
Exact Mass400.15
IUPAC Name1-(4-cyclohexylphenyl)sulfonyl-4-ethylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C18H28N2O4S2/c1-2-25(21,22)19-12-14-20(15-13-19)26(23,24)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h8-11,16H,2-7,12-15H2,1H3
InChIKeyAZZAZAFNOABEDW-UHFFFAOYSA-N
XLogP2.39
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-bis[(4-cyclohexylphenyl)sulfonyl]-1,4-diazepane
CID 3720140
ethyl 4-(4-cyclohexylphenyl)sulfonylpiperazine-1-carboxylate
CID 1262754
1-(4-cyclohexylphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979767
4-(4-cyclohexylphenyl)sulfonylthiomorpholine
CID 171989503
2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]acetonitrile
CID 38812795
1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-2-(methylamino)ethanone
CID 119687160
(2S)-3-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-2-methylpropanenitrile
CID 8694796
1-(4-chlorophenyl)-4-(4-cyclohexylphenyl)sulfonylpiperazine
CID 1178572
3-amino-1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119269998
(2R)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 9442944
1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 719622
1-(4-cyclohexylphenyl)sulfonylazetidin-3-amine
CID 65244291

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)sulfonyl-4-ethylsulfonylpiperazine?
The IUPAC name of 1-(4-cyclohexylphenyl)sulfonyl-4-ethylsulfonylpiperazine (CID 60568104) is 1-(4-cyclohexylphenyl)sulfonyl-4-ethylsulfonylpiperazine.
What is the SMILES notation for 1-(4-cyclohexylphenyl)sulfonyl-4-ethylsulfonylpiperazine?
The canonical SMILES for 1-(4-cyclohexylphenyl)sulfonyl-4-ethylsulfonylpiperazine is CCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1.
What is the InChIKey of 1-(4-cyclohexylphenyl)sulfonyl-4-ethylsulfonylpiperazine?
The InChIKey is AZZAZAFNOABEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S2/c1-2-25(21,22)19-12-14-20(15-13-19)26(23,24)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h8-11,16H,2-7,12-15H2,1H3.
What are the key properties of 1-(4-cyclohexylphenyl)sulfonyl-4-ethylsulfonylpiperazine?
1-(4-cyclohexylphenyl)sulfonyl-4-ethylsulfonylpiperazine has a molecular weight of 400.57 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)sulfonyl-4-ethylsulfonylpiperazine is sourced from PubChem (CID 60568104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).